Spatially Dependent Rate Theory Modeling of Thermal Desorption Spectrometry of Helium-Implanted Iron

Helium effects are among the most critical subjects in fusion materials research. A major task in the study of He effects is to understand how He interacts with irradiation-induced and/or inherent defects and how the interactions govern the subsequent microstructural evolution. Thermal desorption sp...

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Published inFusion science and technology Vol. 56; no. 2; pp. 1064 - 1068
Main Authors Xu, Donghua, Wirth, Brian D.
Format Journal Article
LanguageEnglish
Published La Grange Park, II Taylor & Francis 01.08.2009
American Nuclear Society
Subjects
Applied sciences
Controled nuclear fusion plants
Energy
Energy. Thermal use of fuels
Exact sciences and technology
Installations for energy generation and conversion: thermal and electrical energy
Nuclear fusion reactor
Thermodynamics
Ab initio method
Migration
Theoretical study
Desorption
Iron
Kinetics
Experimental study
Helium
Modeling
Optimization
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ISSN1536-1055
1943-7641
DOI10.13182/FST09-A9052

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Summary:Helium effects are among the most critical subjects in fusion materials research. A major task in the study of He effects is to understand how He interacts with irradiation-induced and/or inherent defects and how the interactions govern the subsequent microstructural evolution. Thermal desorption spectrometry (TDS) provides an appropriate platform for both experimentally probing the kinetics and energetics of He-defect interactions and computationally validating the parameterization of rate theory models. In this paper we present preliminary results on the spatially dependent rate theory modeling of TDS of He-implanted single crystalline iron under the same conditions as explored in our recent experiments. Included in the present model are previously reported migration energies for self-interstitial-atom (SIA), di-SIA and interstitial He from ab initio calculations, and binding energies of He x V y , V m and I n clusters from thermodynamic calculations or ab initio based extrapolations. With a small amount of parameter optimization, several major features observed in the experimental TDS spectra have been reasonably reproduced by the model, while further and more complete validation through both experiments and computation remains to be carried out.
ISSN:1536-1055
1943-7641
DOI:10.13182/FST09-A9052